1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine

C9H15F2N — CID 105436095

IUPAC1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine
SMILESCC(F)(F)C(C1CC1)C1(N)CC1
InChIInChI=1S/C9H15F2N/c1-8(10,11)7(6-2-3-6)9(12)4-5-9/h6-7H,2-5,12H2,1H3
InChIKeyZKQLWPMRFUANSC-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.16
Rot. Bonds3

About 1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine

1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine (PubChem CID 105436095) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine
PubChem CID105436095
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine
SMILESCC(F)(F)C(C1CC1)C1(N)CC1
InChIInChI=1S/C9H15F2N/c1-8(10,11)7(6-2-3-6)9(12)4-5-9/h6-7H,2-5,12H2,1H3
InChIKeyZKQLWPMRFUANSC-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine?
The IUPAC name of 1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine (CID 105436095) is 1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine?
The canonical SMILES for 1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine is CC(F)(F)C(C1CC1)C1(N)CC1.
What is the InChIKey of 1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine?
The InChIKey is ZKQLWPMRFUANSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-8(10,11)7(6-2-3-6)9(12)4-5-9/h6-7H,2-5,12H2,1H3.
What are the key properties of 1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine?
1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine has a molecular weight of 175.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine is sourced from PubChem (CID 105436095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).